disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);ditetrafluoroborate

C58H50Ag2B2F8N10O4 — CID 139128021

IUPACdisilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);ditetrafluoroborate
SMILESCOC(c1ccccn1)(c1ccccn1)c1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.COC(c1ccccn1)(c1ccccn1)c1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.F[B-](F)(F)F.F[B-](F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/2C29H25N5O2.2Ag.2BF4/c2*1-35-28(22-12-3-7-18-30-22,23-13-4-8-19-31-23)26-16-11-17-27(34-26)29(36-2,24-14-5-9-20-32-24)25-15-6-10-21-33-25;;;2*2-1(3,4)5/h2*3-21H,1-2H3;;;;/q;;2*+1;2*-1
InChIKeySTLAOHOSMIFKRJ-UHFFFAOYSA-N
MW1340.45 g/mol
LogP11.67
Rot. Bonds16

About disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);ditetrafluoroborate

disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);ditetrafluoroborate (PubChem CID 139128021) has the molecular formula C58H50Ag2B2F8N10O4 and a molecular weight of 1340.45 g/mol. Its IUPAC name is disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);ditetrafluoroborate.

Molecular Properties

Compound Namedisilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);ditetrafluoroborate
PubChem CID139128021
Molecular FormulaC58H50Ag2B2F8N10O4
Molecular Weight1340.45 g/mol
Exact Mass1338.22
IUPAC Namedisilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);ditetrafluoroborate
SMILESCOC(c1ccccn1)(c1ccccn1)c1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.COC(c1ccccn1)(c1ccccn1)c1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.F[B-](F)(F)F.F[B-](F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/2C29H25N5O2.2Ag.2BF4/c2*1-35-28(22-12-3-7-18-30-22,23-13-4-8-19-31-23)26-16-11-17-27(34-26)29(36-2,24-14-5-9-20-32-24)25-15-6-10-21-33-25;;;2*2-1(3,4)5/h2*3-21H,1-2H3;;;;/q;;2*+1;2*-1
InChIKeySTLAOHOSMIFKRJ-UHFFFAOYSA-N
XLogP11.67
TPSA165.82 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001340.45
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);methanol;bis(trifluoromethanesulfonate)
CID 139128022
Acetonitrile;copper(1+);2-[methoxy(dipyridin-2-yl)methyl]pyridine;trifluoromethanesulfonate
CID 139134921
Copper(1+);bis(2-[methoxy(dipyridin-2-yl)methyl]pyridine);propan-2-one;trifluoromethanesulfonate
CID 139134923
Bis(copper(1+));tetrakis(2-methoxy-6-[methoxy(dipyridin-2-yl)methyl]pyridine);bis(trifluoromethanesulfonate)
CID 139134924
Oxidanium;2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine;iron(2+);bis(trifluoromethanesulfonate)
CID 168337339
2,6-Bis[bis(2-pyridyl)hydroxymethyl]pyridine
CID 90820104
2,6-Bis(dipyridin-2-ylmethoxymethyl)pyridine
CID 91376410
Bis[tris(pyridin-2-yl)methanol-kappa^2^N]palladium(II) dinitrate
CID 139059298
Bis(di-2-pyridylmethanediol)copper(II) tetrafluoroborate
CID 139076632
Tetrasilver;tetrakis([6-[hydroxy(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethanol);tetranitrate
CID 139128020
Bis(acetonitrile);cobalt(2+);2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;oxolane;dihexafluorophosphate
CID 139181335
ZINC;acetonitrile;2-[methoxy(dipyridin-2-yl)methyl]-6-pyridin-2-ylpyridine;dihexafluorophosphate
CID 139181337

Frequently Asked Questions

What is the IUPAC name of disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);ditetrafluoroborate?
The IUPAC name of disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);ditetrafluoroborate (CID 139128021) is disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);ditetrafluoroborate.
What is the SMILES notation for disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);ditetrafluoroborate?
The canonical SMILES for disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);ditetrafluoroborate is COC(c1ccccn1)(c1ccccn1)c1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.COC(c1ccccn1)(c1ccccn1)c1cccc(C(OC)(c2ccccn2)c2ccccn2)n1.F[B-](F)(F)F.F[B-](F)(F)F.[Ag+].[Ag+].
What is the InChIKey of disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);ditetrafluoroborate?
The InChIKey is STLAOHOSMIFKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H25N5O2.2Ag.2BF4/c2*1-35-28(22-12-3-7-18-30-22,23-13-4-8-19-31-23)26-16-11-17-27(34-26)29(36-2,24-14-5-9-20-32-24)25-15-6-10-21-33-25;;;2*2-1(3,4)5/h2*3-21H,1-2H3;;;;/q;;2*+1;2*-1.
What are the key properties of disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);ditetrafluoroborate?
disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);ditetrafluoroborate has a molecular weight of 1340.45 g/mol, XLogP of 11.67, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine);ditetrafluoroborate is sourced from PubChem (CID 139128021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).